Neopentyl bromoacetate
TL;DR: Neopentyl bromoacetate (CAS 101001-73-4) is a chemical compound with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl 2-bromoacetate
Also Known As: Neopentyl 2-bromoacetate, Neopentyl bromoacetate, 2,2-dimethylpropyl 2-bromoacetate, Neopentyl bromoacetate #, 2,2-Dimethylpropyl bromoacetate
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 101001-73-4 |
|---|---|
| SMILES | CC(C)(C)COC(=O)CBr |
| InChIKey | YMFWXAPAYFRXMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl bromoacetate (CAS 101001-73-4), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: 2,2-dimethylpropyl 2-bromoacetate.
Chemical Property Profile of Neopentyl bromoacetate
Property Insights of Neopentyl bromoacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Neopentyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl bromoacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neopentyl bromoacetate?
The CAS number of Neopentyl bromoacetate is 101001-73-4.
What is the molecular formula of Neopentyl bromoacetate?
The molecular formula of Neopentyl bromoacetate is C7H13BrO2.
What is the molecular weight of Neopentyl bromoacetate?
The molecular weight of Neopentyl bromoacetate is 208.01 g/mol.
Where can I buy Neopentyl bromoacetate?
You can request a quote for Neopentyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.